Date: Mon, 13 Mar 2023 18:51:41 GMT From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org Subject: git: 448d66dd0308 - main - =?utf-8?Q?science/nwchem:=20Update=207.0.2-20220224=20=E2=86=92=207.2.0?= Message-ID: <202303131851.32DIpfVf034162@gitrepo.freebsd.org>
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The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=448d66dd0308f4870d76e76e3fd889fc17cf0c44 commit 448d66dd0308f4870d76e76e3fd889fc17cf0c44 Author: Yuri Victorovich <yuri@FreeBSD.org> AuthorDate: 2023-03-13 15:07:01 +0000 Commit: Yuri Victorovich <yuri@FreeBSD.org> CommitDate: 2023-03-13 18:51:36 +0000 science/nwchem: Update 7.0.2-20220224 → 7.2.0 Reported by: portscout --- science/nwchem/Makefile | 14 +++++++------- science/nwchem/distinfo | 14 +++++++------- 2 files changed, 14 insertions(+), 14 deletions(-) diff --git a/science/nwchem/Makefile b/science/nwchem/Makefile index 778444fc538f..d04842659465 100644 --- a/science/nwchem/Makefile +++ b/science/nwchem/Makefile @@ -1,13 +1,13 @@ PORTNAME= nwchem DISTVERSIONPREFIX= v -DISTVERSION= 7.0.2-20220224 +DISTVERSION= 7.2.0 DISTVERSIONSUFFIX= -release +CATEGORIES= science MASTER_SITES= https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dft-d3/:dftd3 \ https://web.archive.org/web/20210527062154if_/https://www.chemie.uni-bonn.de/pctc/mulliken-center/software/dft-d3/:dft3 \ https://gitlab.com/libxc/libxc/-/archive/${LIBXC_VERSION}/:libxc DISTFILES= dftd3.tgz:dft3 \ libxc-${LIBXC_VERSION}.tar.gz:libxc -CATEGORIES= science DIST_SUBDIR= ${PORTNAME}-${PORTVERSION} EXTRACT_ONLY= ${DISTNAME}.tar.gz @@ -24,16 +24,16 @@ BROKEN_aarch64= fails to build: gfortran10: error: unrecognized command-line opt BUILD_DEPENDS= bash:shells/bash LIB_DEPENDS= libblas.so:math/blas \ - libga.so:devel/ga + libga.so:devel/ga \ + libhwloc.so:devel/hwloc2 RUN_DEPENDS= nwchem-data>0:science/nwchem-data TEST_DEPENDS= bash:shells/bash -USES= fortran gettext-runtime gmake perl5 +USES= fortran gettext-runtime gmake perl5 pkgconfig USE_PERL5= build USE_GITHUB= yes GH_ACCOUNT= nwchemgit -GH_TAGNAME= 7a73690b20764d26dc9fdfae9ff0c110253fbf6f MAKEFILE= GNUmakefile ARCH_64BIT= ${ARCH:C/.*64.*/64/:S/${ARCH}//} @@ -49,9 +49,9 @@ BINARY_ALIAS+= make=${GMAKE} # only for LIBXC PLIST_FILES= bin/nwchem etc/nwchemrc -LIBXC_VERSION= 5.2.0 # from src/libext/libxc/build_libxc.sh +LIBXC_VERSION= 6.1.0 # from src/libext/libxc/build_libxc.sh -OPTIONS_DEFINE= LIBXC PYTHON +OPTIONS_DEFINE= LIBXC PYTHON # more potential optional dependencies are listed in src/libext/GNUmakefile OPTIONS_DEFAULT= LIBXC PYTHON MPICH # the default should be the same as for the MPI option in math/scalapack and devel/ga OPTIONS_RADIO= MPI OPTIONS_RADIO_MPI= NOMPI MPICH OPENMPI diff --git a/science/nwchem/distinfo b/science/nwchem/distinfo index c7c330e79736..2d746d930c32 100644 --- a/science/nwchem/distinfo +++ b/science/nwchem/distinfo @@ -1,7 +1,7 @@ -TIMESTAMP = 1669871913 -SHA256 (nwchem-7.0.2.20220224/dftd3.tgz) = d97cf9758f61aa81fd85425448fbf4a6e8ce07c12e9236739831a3af32880f59 -SIZE (nwchem-7.0.2.20220224/dftd3.tgz) = 555804 -SHA256 (nwchem-7.0.2.20220224/libxc-5.2.0.tar.gz) = 30e073ab06638c1e41a3207ec755dee6f516bdcf87988ab89bacafd6b5d3c7a5 -SIZE (nwchem-7.0.2.20220224/libxc-5.2.0.tar.gz) = 46419844 -SHA256 (nwchem-7.0.2.20220224/nwchemgit-nwchem-v7.0.2-20220224-release-7a73690b20764d26dc9fdfae9ff0c110253fbf6f_GH0.tar.gz) = 1abcb6a36e68b84dba7eedd0b12b38c65d86acbfdfa9fca7be17fd28cba3d2e6 -SIZE (nwchem-7.0.2.20220224/nwchemgit-nwchem-v7.0.2-20220224-release-7a73690b20764d26dc9fdfae9ff0c110253fbf6f_GH0.tar.gz) = 213619006 +TIMESTAMP = 1678699935 +SHA256 (nwchem-7.2.0/dftd3.tgz) = d97cf9758f61aa81fd85425448fbf4a6e8ce07c12e9236739831a3af32880f59 +SIZE (nwchem-7.2.0/dftd3.tgz) = 555804 +SHA256 (nwchem-7.2.0/libxc-6.1.0.tar.gz) = f593745fa47ebfb9ddc467aaafdc2fa1275f0d7250c692ce9761389a90dd8eaf +SIZE (nwchem-7.2.0/libxc-6.1.0.tar.gz) = 64587311 +SHA256 (nwchem-7.2.0/nwchemgit-nwchem-v7.2.0-release_GH0.tar.gz) = 321c57a1994fd12546cb0d5f86c3bd8bd305d4420a9d7d416f3d765c428cdae4 +SIZE (nwchem-7.2.0/nwchemgit-nwchem-v7.2.0-release_GH0.tar.gz) = 210819912
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